2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine

C7H14FNO2S — CID 115020248

IUPAC2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine
SMILESNCCC1(CF)CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c8-5-7(1-3-9)2-4-12(10,11)6-7/h1-6,9H2
InChIKeyUMBOJRKTKKWUHB-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.11
Rot. Bonds3

About 2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine

2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine (PubChem CID 115020248) has the molecular formula C7H14FNO2S and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine
PubChem CID115020248
Molecular FormulaC7H14FNO2S
Molecular Weight195.26 g/mol
Exact Mass195.07
IUPAC Name2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine
SMILESNCCC1(CF)CCS(=O)(=O)C1
InChIInChI=1S/C7H14FNO2S/c8-5-7(1-3-9)2-4-12(10,11)6-7/h1-6,9H2
InChIKeyUMBOJRKTKKWUHB-UHFFFAOYSA-N
XLogP0.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethyl)-1lambda6-thiolane-1,1-dione hydrochloride
CID 200360
2-(1,1-Dioxothiolan-3-yl)ethanamine
CID 200361
2-(4-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84666245
(3-Fluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84765190
(4-Fluoro-1,1-dioxothiolan-3-yl)methanamine
CID 84765192
[3-(Fluoromethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 84768420
2-(4-Fluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84768423
2-(3-Fluoro-1,1-dioxothian-4-yl)ethanamine
CID 84773581
[3-(Fluoromethyl)-1,1-dioxothian-3-yl]methanamine
CID 84773583
[4-(Fluoromethyl)-1,1-dioxothian-4-yl]methanamine
CID 84773584
2-(4,4-Difluoro-1,1-dioxothiolan-3-yl)ethanamine
CID 84775228
[1,1-Dioxo-4-(2,2,2-trifluoroethyl)thiolan-3-yl]methanamine
CID 84794192

Frequently Asked Questions

What is the IUPAC name of 2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine?
The IUPAC name of 2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine (CID 115020248) is 2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine is NCCC1(CF)CCS(=O)(=O)C1.
What is the InChIKey of 2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine?
The InChIKey is UMBOJRKTKKWUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2S/c8-5-7(1-3-9)2-4-12(10,11)6-7/h1-6,9H2.
What are the key properties of 2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine?
2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine has a molecular weight of 195.26 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(fluoromethyl)-1,1-dioxothiolan-3-yl]ethanamine is sourced from PubChem (CID 115020248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).